[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C25H23N3O6S/c1-4-13-26-35(32,33)21-12-8-11-20(15-21)25(31)34-16-23(29)22-14-17(2)28(18(22)3)27-24(30)19-9-6-5-7-10-19/h1,5-12,14-15,26H,13,16H2,2-3H3,(H,27,30)